Compound Detail
CHEMBL50430
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Basic Information
| ChEMBL ID | CHEMBL50430 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLQWOUULTDRZTQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
175.2
MW (Da)
1.18
ALogP
1
HBA
2
HBD
36.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2095158 | Ki | 8.11 | 8.11 | 7.8 | 1 |
| Adrenergic receptor alpha-1 CHEMBL2094251 | Ki | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 7.8 | nM | 8.11 | Binding affinity for Alpha-2 adrenergic receptor of CHO-C10 membrane preparation | - |
| Adrenergic receptor alpha-1 | Ki | = | 2500.0 | nM | 5.6 | Binding affinity for Alpha-1 adrenergic receptor of human cerebral cortex membra... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00295-5 | Adrenergic receptor alpha-2 | 2 |
| 6105218 | 10.1021/jm00182a015 | Rattus norvegicus | 2 |
| 2066976 | 10.1021/jm00111a020 | No relevant target | 1 |
| - | 10.1016/0960-894X(95)00295-5 | Adrenergic receptor alpha-1 | 1 |
| 8411009 | 10.1021/jm00072a012 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine